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4,4′-Diaminobenzanilide

4,4′-Diaminobenzanilide structure

CAS No:
785-30-8
Formula:
C13H13N3O
Chemical Name:
4,4′-Diaminobenzanilide
Synonyms:
Benzamide,4-amino-N-(4-aminophenyl)-;Benzanilide,4,4′-diamino-;4-Amino-N-(4-aminophenyl)benzamide;4,4′-Diaminobenzanilide;4-Aminobenzoyl-4′-aminoanilide;N-(4-Aminophenyl)-4-aminobenzamide;NSC 37092;DABAN;4,4′-Diaminodiphenylamide
Categories:
Organic Chemistry > Amides

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Description

off-white to grey-beige powder

4,4′-Diaminobenzanilide Basic Attributes

Molecular Weight：

227.267

Exact Mass：

227.26

EC Number：

212-321-5

UNII：

00X4JM89UH

NSC Number：

37092

DSSTox ID：

DTXSID4020400

HScode：

2924299090

Characteristics

PSA：

81.1

XLogP3：

1.3

Appearance：

Brown solid

Density：

1.3±0.1 g/cm3

Melting Point：

204 °C @ Solvent: Water

Boiling Point：

384ºC at 760 mmHg

Flash Point：

186.0±23.7 °C

Refractive Index：

1.734

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 53 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4,4'-diaminobenzanilide

4,4′-Diaminobenzanilide Use and Manufacturing

Methods of Manufacturing

2 To the autoclave, 30 g of 4, 4'-dinitrobenzanilide obtained in step 1, 150 mL of N, N'-dimethylformamide, and 0.8 g of a 3 wtpercent palladium carbon catalyst were added. Into the hydrogen, The pressure-holding reaction was completed to completion at a pressure of 0.8 ± 0.1 MPa and a temperature of 100 ± 1 °C.After completion of the reaction, the mixture was filtered, and the solvent was evaporated to vacuo.The crude 4, 4'-diaminobenzanilide was obtained.3 The crude 4, 4'-diaminobenzanilide obtained in the step 2 was further added to the autoclave, 100 g of n-butanol and 0.96 g of activated carbon were added, and the nitrogen was replaced three times, and the nitrogen gas was discharged until the inside of the autoclave was maintained at a positive pressure.Then, the temperature was raised to 135±1° C., stirred for 20 min, filtered under nitrogen, and the filtrate was cooled to 25±1° C., filtered, and dried.22.8 g of an electronic grade 4, 4'-diaminobenzanilide having a white crystalline powder was obtained in a yield of 96.1percent and a purity of 99.7percent (HPLC).Possible diamines of the general formula (II) where n=2 are, for example:4, 4'-diaminoazobenzene, 3, 3'-dimethylbenzidine,

Manufacturing Info：

Benzamide, 4-amino-N-(4-aminophenyl)-: ACTIVE

Computed Properties

Molecular Weight:227.26
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:227.105862047
Monoisotopic Mass:227.105862047
Topological Polar Surface Area:81.1
Heavy Atom Count:17
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4′-Diaminobenzanilide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4,4′-Diaminobenzanilide

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